N-[(1-ethylpyrrol-3-yl)methyl]-2-propylcyclopropan-1-amine

C13H22N2 — CID 103270528

IUPACN-[(1-ethylpyrrol-3-yl)methyl]-2-propylcyclopropan-1-amine
SMILESCCCC1CC1NCc1ccn(CC)c1
InChIInChI=1S/C13H22N2/c1-3-5-12-8-13(12)14-9-11-6-7-15(4-2)10-11/h6-7,10,12-14H,3-5,8-9H2,1-2H3
InChIKeyMJNUGNNSVAZUON-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.79
Rot. Bonds6

About N-[(1-ethylpyrrol-3-yl)methyl]-2-propylcyclopropan-1-amine

N-[(1-ethylpyrrol-3-yl)methyl]-2-propylcyclopropan-1-amine (PubChem CID 103270528) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-3-yl)methyl]-2-propylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-3-yl)methyl]-2-propylcyclopropan-1-amine
PubChem CID103270528
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-[(1-ethylpyrrol-3-yl)methyl]-2-propylcyclopropan-1-amine
SMILESCCCC1CC1NCc1ccn(CC)c1
InChIInChI=1S/C13H22N2/c1-3-5-12-8-13(12)14-9-11-6-7-15(4-2)10-11/h6-7,10,12-14H,3-5,8-9H2,1-2H3
InChIKeyMJNUGNNSVAZUON-UHFFFAOYSA-N
XLogP2.79
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclopropan-1-amine
CID 103527273
N-[(1-ethylpyrrol-3-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 66414811
N-[(4-methylphenyl)methyl]-2-propylcyclopropan-1-amine
CID 103711454
2-methyl-N-[(1-propylpyrrol-3-yl)methyl]cyclopropan-1-amine
CID 66414407
4-[[(2-propylcyclopropyl)amino]methyl]benzonitrile
CID 103711563
N-[(1-ethylpyrrol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80714455
N-[(3,4-dimethylphenyl)methyl]-2-propylcyclopropan-1-amine
CID 103711594
N-[(1-ethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 66413966
N-[(4-methoxyphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride
CID 115664685
3-[(1-ethylpyrrol-3-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 114628998
3-ethoxy-N-[(1-ethylpyrrol-3-yl)methyl]cyclobutan-1-amine
CID 103270597
1,3-dimethyl-5-[[(2-propylcyclopropyl)amino]methyl]pyrimidine-2,4-dione
CID 103711534

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-3-yl)methyl]-2-propylcyclopropan-1-amine?
The IUPAC name of N-[(1-ethylpyrrol-3-yl)methyl]-2-propylcyclopropan-1-amine (CID 103270528) is N-[(1-ethylpyrrol-3-yl)methyl]-2-propylcyclopropan-1-amine.
What is the SMILES notation for N-[(1-ethylpyrrol-3-yl)methyl]-2-propylcyclopropan-1-amine?
The canonical SMILES for N-[(1-ethylpyrrol-3-yl)methyl]-2-propylcyclopropan-1-amine is CCCC1CC1NCc1ccn(CC)c1.
What is the InChIKey of N-[(1-ethylpyrrol-3-yl)methyl]-2-propylcyclopropan-1-amine?
The InChIKey is MJNUGNNSVAZUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-5-12-8-13(12)14-9-11-6-7-15(4-2)10-11/h6-7,10,12-14H,3-5,8-9H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrol-3-yl)methyl]-2-propylcyclopropan-1-amine?
N-[(1-ethylpyrrol-3-yl)methyl]-2-propylcyclopropan-1-amine has a molecular weight of 206.33 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-3-yl)methyl]-2-propylcyclopropan-1-amine is sourced from PubChem (CID 103270528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).